| CAS Number | 20614-90-8 |
| Catalog Number | AG00IL6K(AGN-PC-0ND1BO) |
| Chemical Name | 3-tert-Butylcyclobutanone |
| IUPAC Name | 3-tert-butylcyclobutan-1-one |
| InChI | InChI=1S/C8H14O/c1-8(2,3)6-4-7(9)5-6/h6H,4-5H2,1-3H3 |
| InChI Key | DUGBXGJNDWCDTG-UHFFFAOYSA-N |
| MDL Number | MFCD19441103 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC(C1CC(=O)C1)(C)C |
| Synonyms | 3-tert-butylcyclobutanone,
20614-90-8,
3-tert-butylcyclobutan-1-one,
Cyclobutanone, 3-(1,1-dimethylethyl)-,
3-t-Butylcyclobutanone,
3-?tert-?butylcyclobutanone,
SCHEMBL2691341,
DUGBXGJNDWCDTG-UHFFFAOYSA-N,
MFCD19441103,
ZINC34566582,
AKOS017514675,
AS-54193,
SC-91836,
CS-0051777,
FT-0723364,
CID10931442,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number